Powder diffraction and crystal structure prediction identify four new coumarin polymorphs

Powder diffraction and crystal structure prediction identify four new coumarin polymorphs

Coumarin, a simple, commodity chemical isolated from beans in 1820, has, to date, only yielded one solid state structure. Here, we report a rich polymorphism of coumarin grown from the melt. Four new metastable forms were identified and their crystal structures were solved using a combination of com...

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Bibliographic Details
Main Authors: Shtukenberg, A., Zhu, Q., Carter, Damien, Vogt, L., Hoja, J., Schneider, E., Song, H., Pokroy, B., Polishchuk, I., Tkatchenko, A., Oganov, A., Rohl, Andrew, Tuckerman, M., Kahr, B.
Format: Journal Article
Published: Royal Society of Chemistry Publishing 2017
Online Access:http://purl.org/au-research/grants/arc/DP140101776
http://hdl.handle.net/20.500.11937/54186

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